N-[2,2-dichloro-1-({4-[2,2,2-trichloro-1-(2,2-dimethylpropanamido)ethoxy]pyrimidin-2-yl}sulfanyl)ethenyl]-2,2-dimethylpropanamide
Chemical Structure Depiction of
N-[2,2-dichloro-1-({4-[2,2,2-trichloro-1-(2,2-dimethylpropanamido)ethoxy]pyrimidin-2-yl}sulfanyl)ethenyl]-2,2-dimethylpropanamide
N-[2,2-dichloro-1-({4-[2,2,2-trichloro-1-(2,2-dimethylpropanamido)ethoxy]pyrimidin-2-yl}sulfanyl)ethenyl]-2,2-dimethylpropanamide
Compound characteristics
| Compound ID: | 1491-0713 |
| Compound Name: | N-[2,2-dichloro-1-({4-[2,2,2-trichloro-1-(2,2-dimethylpropanamido)ethoxy]pyrimidin-2-yl}sulfanyl)ethenyl]-2,2-dimethylpropanamide |
| Molecular Weight: | 552.73 |
| Molecular Formula: | C18 H23 Cl5 N4 O3 S |
| Smiles: | CC(C)(C)C(NC(C([Cl])([Cl])[Cl])Oc1ccnc(n1)SC(=C([Cl])[Cl])NC(C(C)(C)C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.565 |
| logD: | 4.5965 |
| logSw: | -5.9219 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.884 |
| InChI Key: | ZLRKJOYKKJKVHK-AWEZNQCLSA-N |